3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone
TL;DR: 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone (CAS 674786-75-5) is a chemical compound with molecular formula C20H17F17O6 and molecular weight 676.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-ethoxy-2-oxoethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-oxooxolane-3-carboxylate
Also Known As: 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone, ethyl 3-(2-ethoxy-2-oxoethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-oxooxolane-3-carboxylate, 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)-gamma-butyrolactone, 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)--butyrolactone, ethyl 3-(2-ethoxy-2-oxo-ethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-oxo-tetrahydrofuran-3-carboxylate
| Molecular Formula | C20H17F17O6 |
|---|---|
| Molecular Weight | 676.08 g/mol |
| LogP | 6.2041 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 676.0754 |
| Heavy Atoms | 43 |
| Complexity | 1070.641 |
Chemical Identifiers
| CAS Number | 674786-75-5 |
|---|---|
| SMILES | CCOC(=O)CC1(CC(OC1=O)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OCC |
Product Overview
3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone (CAS 674786-75-5), with molecular formula C20H17F17O6 and molecular weight 676.08 g/mol. IUPAC: ethyl 3-(2-ethoxy-2-oxoethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-oxooxolane-3-carboxylate.
Chemical Property Profile of 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone
Property Insights of 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone
The XLogP value of 6.2041 indicates that 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone. Following Lipinski's Rule of Five, 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone?
The CAS number of 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone is 674786-75-5.
What is the molecular formula of 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone?
The molecular formula of 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone is C20H17F17O6.
What is the molecular weight of 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone?
The molecular weight of 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone is 676.08 g/mol.
Where can I buy 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone?
You can request a quote for 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Carbethoxy)-3-(methylcarbethoxy)-5-(1H,1H-perfluorononyl)- -butyrolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.